CID 175684798

Oxybis(propane-3,1-diyl) diphenyl bis(hydrogen phosphate)

Structural Information

Molecular Formula
C18H24O9P2
SMILES
C1=CC=C(C=C1)OP(=O)(O)OCCCOCCCOP(=O)(O)OC2=CC=CC=C2
InChI
InChI=1S/C18H24O9P2/c19-28(20,26-17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-29(21,22)27-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,19,20)(H,21,22)
InChIKey
CKDIREGIJQWYCR-UHFFFAOYSA-N
Compound name
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.08957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.09685 201.9
[M+Na]+ 469.07879 203.6
[M-H]- 445.08229 202.2
[M+NH4]+ 464.12339 209.0
[M+K]+ 485.05273 203.4
[M+H-H2O]+ 429.08683 188.0
[M+HCOO]- 491.08777 230.2
[M+CH3COO]- 505.10342 221.5
[M+Na-2H]- 467.06424 204.0
[M]+ 446.08902 210.2
[M]- 446.09012 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.